4-[[6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine

C25H24N4O3S2 — CID 17427652

IUPAC4-[[6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(SCc2cn(-c3ccccc3)nc2-c2ccccc2)nc1)N1CCOCC1
InChIInChI=1S/C25H24N4O3S2/c30-34(31,28-13-15-32-16-14-28)23-11-12-24(26-17-23)33-19-21-18-29(22-9-5-2-6-10-22)27-25(21)20-7-3-1-4-8-20/h1-12,17-18H,13-16,19H2
InChIKeyKJQQXYMWYADLMI-UHFFFAOYSA-N
MW492.63 g/mol
LogP4.25
Rot. Bonds7

About 4-[[6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine

4-[[6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine (PubChem CID 17427652) has the molecular formula C25H24N4O3S2 and a molecular weight of 492.63 g/mol. Its IUPAC name is 4-[[6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
PubChem CID17427652
Molecular FormulaC25H24N4O3S2
Molecular Weight492.63 g/mol
Exact Mass492.13
IUPAC Name4-[[6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(SCc2cn(-c3ccccc3)nc2-c2ccccc2)nc1)N1CCOCC1
InChIInChI=1S/C25H24N4O3S2/c30-34(31,28-13-15-32-16-14-28)23-11-12-24(26-17-23)33-19-21-18-29(22-9-5-2-6-10-22)27-25(21)20-7-3-1-4-8-20/h1-12,17-18H,13-16,19H2
InChIKeyKJQQXYMWYADLMI-UHFFFAOYSA-N
XLogP4.25
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.63
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 17390596
4-[[6-[(5-bromo-2-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 60593593
5-morpholin-4-ylsulfonyl-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-2-amine
CID 133380160
4-[[6-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 33343698
1-[(6-benzylsulfanyl-3-pyridinyl)sulfonyl]azepane
CID 7593932
2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 7774852
2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 7774854
4-[[6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 16571041
2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-1-naphthalen-2-ylethanone
CID 38974013
1-(azepan-1-yl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone
CID 7569990
4-[[6-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]morpholine
CID 28565686
4-[[6-[2-(3-methylphenoxy)ethylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 7570076

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine (CID 17427652) is 4-[[6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine is O=S(=O)(c1ccc(SCc2cn(-c3ccccc3)nc2-c2ccccc2)nc1)N1CCOCC1.
What is the InChIKey of 4-[[6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is KJQQXYMWYADLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S2/c30-34(31,28-13-15-32-16-14-28)23-11-12-24(26-17-23)33-19-21-18-29(22-9-5-2-6-10-22)27-25(21)20-7-3-1-4-8-20/h1-12,17-18H,13-16,19H2.
What are the key properties of 4-[[6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
4-[[6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 492.63 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 17427652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).